1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine

C16H25FN2O — CID 117450445

IUPAC1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine
SMILESCCc1c(CCN2CCNCC2)cc(F)c(C)c1OC
InChIInChI=1S/C16H25FN2O/c1-4-14-13(5-8-19-9-6-18-7-10-19)11-15(17)12(2)16(14)20-3/h11,18H,4-10H2,1-3H3
InChIKeyVYODOQZOFJYRAF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.15
Rot. Bonds5

About 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine

1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine (PubChem CID 117450445) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine
PubChem CID117450445
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine
SMILESCCc1c(CCN2CCNCC2)cc(F)c(C)c1OC
InChIInChI=1S/C16H25FN2O/c1-4-14-13(5-8-19-9-6-18-7-10-19)11-15(17)12(2)16(14)20-3/h11,18H,4-10H2,1-3H3
InChIKeyVYODOQZOFJYRAF-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
CID 117446670
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
1-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384405
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
CID 117458585
4-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)butanoic acid
CID 117389136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine (CID 117450445) is 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine is CCc1c(CCN2CCNCC2)cc(F)c(C)c1OC.
What is the InChIKey of 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine?
The InChIKey is VYODOQZOFJYRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-14-13(5-8-19-9-6-18-7-10-19)11-15(17)12(2)16(14)20-3/h11,18H,4-10H2,1-3H3.
What are the key properties of 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine?
1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine has a molecular weight of 280.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 117450445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).